5-[(4-ethoxyphenyl)methyl]-3-(4-ethylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-3-(4-ethylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(4-ethoxyphenyl)methyl]-3-(4-ethylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-3-[(4-ethyl-1-piperazinyl)-oxomethyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-3-(4-ethylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-ethoxybenzyl)-3-(4-ethylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)OCC

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)OCC

InChI

InChI=1S/C29H31N3O3S/c1-3-30-15-17-31(18-16-30)28(33)22-11-14-27-25(19-22)32(20-21-9-12-23(13-10-21)35-4-2)29(34)24-7-5-6-8-26(24)36-27/h5-14,19H,3-4,15-18,20H2,1-2H3